Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL28109964 | 0.98 | TSHR (0.52) | TSHRTP53CA1CA2DAO | |
| SCHEMBL15304782 | 0.84 | TSHR (0.52) | TSHRTP53CA1CA2DAO | |
| SCHEMBL12905320 | 0.84 | TSHR (0.48) | TSHRTP53CA1CA2DAO | |
| SCHEMBL16469765 | 0.83 | MAPT (0.52) | CA12CA9ALDH1A1SMN1; SMN2 | |
| SCHEMBL126404 | 0.82 | TSHR (0.56) | TSHRTP53CA1CA2DAO | |
| Hydrochloric Acid SCHEMBL9027856 | 0.81 | PARP1 (0.52) | TSHRCA1CA2ALDH1A1 | |
| SCHEMBL776579 | 0.80 | NPC1 (0.37) | CA1CA2CA9ALDH1A1 | |
| SCHEMBL16469932 | 0.78 | TSHR (0.59) | TSHRCA1CA2CA12CA7 | |
| Terephthalic Acid SCHEMBL21443891 | 0.77 | TSHR (0.92) | TSHRTP53CA1CA2DAO | |
| SCHEMBL5327874 | 0.77 | CA12 (0.50) | TSHRTP53CA1CA2DAO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117682988-A | Wangzaozi B derivative, and preparation method and application thereof | 宿州绿源中医药科技有限公司 | 2024-03-12 | — | — | CN | disclosed |